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13580-38-6

Basic Information
CAS No.: 13580-38-6
Name: 3-Prop-2-ynoxypropane-1,2-diol
Article Data: 10
Molecular Structure:
Molecular Structure of 13580-38-6 (3-Prop-2-ynoxypropane-1,2-diol)
Formula: C6H10O3
Molecular Weight: 130.144
Synonyms: 1,2-Propanediol,3-(2-propynyloxy)- (8CI,9CI);3-(2-Propynyloxy)-1,2-propanediol;Monopropargylylglycerol ether;NSC 215123;Propargyl-oxo-propane-2,3-dihydroxy;
EINECS: 237-012-2
Density: 1.151 g/cm3
Boiling Point: 268.666 °C at 760 mmHg
Flash Point: 116.285 °C
PSA: 49.69000
LogP: -1.01060
Synthetic route
18180-30-8

prop-2-ynyloxymethyl-oxirane

13580-38-6

3-(prop-2-yn-1-yloxy)propan-1,2-diol

Conditions
ConditionsYield
With water at 100℃;96%
106-96-7

propargyl bromide

100-79-8

(R,S)-2,2-dimethyl-1,3-dioxolane-4-methanol

13580-38-6

3-(prop-2-yn-1-yloxy)propan-1,2-diol

Conditions
ConditionsYield
Stage #1: propargyl bromide; (R,S)-2,2-dimethyl-1,3-dioxolane-4-methanol With sodium hydride In tetrahydrofuran Reflux;
Stage #2: With hydrogenchloride In tetrahydrofuran; methanol; water at 20℃; for 8h;
90%

4-(prop-2-yn-1-yloxymethyl)-2,2-dimethyl-1,3-dioxolane

13580-38-6

3-(prop-2-yn-1-yloxy)propan-1,2-diol

Conditions
ConditionsYield
With hydrogenchloride In tetrahydrofuran at 20℃;75%
With hydrogenchloride; water In tert-butyl methyl ether at 20 - 25℃; for 6h; Inert atmosphere; Industry scale;85 %Chromat.
With methanol
556-52-5

oxiranyl-methanol

107-19-7

propargyl alcohol

13580-38-6

3-(prop-2-yn-1-yloxy)propan-1,2-diol

Conditions
ConditionsYield
In N,N-dimethyl-formamide51%
13580-38-6

3-(prop-2-yn-1-yloxy)propan-1,2-diol

18162-48-6

tert-butyldimethylsilyl chloride

1,2-di-O-tert-butyldimethylsilyl-3-(prop-2-yn-1-yloxy)propan-1,2-diol

Conditions
ConditionsYield
With 1H-imidazole In N,N-dimethyl-formamide80%
7681-52-9

sodium hypochlorite

13580-38-6

3-(prop-2-yn-1-yloxy)propan-1,2-diol

3-(2,3,3-triiodo-2-propenyloxy)-propane-1,2-diol

Conditions
ConditionsYield
With sodium hydroxide; Ki; aqueous H2SO4 In water76%
With sodium hydroxide; Ki; aqueous H2SO4 In water76%
13580-38-6

3-(prop-2-yn-1-yloxy)propan-1,2-diol

616-38-6

carbonic acid dimethyl ester

949015-02-5

4‐((prop‐2‐yn‐1‐yloxy)methyl)‐1,3‐dioxolan‐2‐one

Conditions
ConditionsYield
With tetrabutylammomium bromide at 180℃; under 8250.83 Torr; for 0.05h; Flow reactor;69%
13580-38-6

3-(prop-2-yn-1-yloxy)propan-1,2-diol

76-83-5

trityl chloride

1-(prop-2-yn-1-yloxy)-3-(trityloxy)propan-2-ol

Conditions
ConditionsYield
With dmap; triethylamine In dichloromethane at 0 - 20℃; Inert atmosphere;66%
13580-38-6

3-(prop-2-yn-1-yloxy)propan-1,2-diol

57-10-3

1-hexadecylcarboxylic acid

(2,3-dihexadecanoyl)-(1-propargyloxy)propionate

Conditions
ConditionsYield
With dmap; dicyclohexyl-carbodiimide In N,N-dimethyl-formamide at 0 - 20℃; for 16h; Steglich Esterification;51%
143-07-7

lauric acid

13580-38-6

3-(prop-2-yn-1-yloxy)propan-1,2-diol

(2,3-didodecanoyl)-(1-propargyloxy)propionate

Conditions
ConditionsYield
With dmap; dicyclohexyl-carbodiimide In N,N-dimethyl-formamide at 0 - 20℃; for 16h; Steglich Esterification;48%
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    3-Prop-2-ynoxypropane-1,2-diol (POPDH), CAS No.:13580-38-6 Name 3-Prop-2-ynoxypropane-1,2-diol Synonyms 3-(2-Propynyloxy)propane-1,2-diol; Propargyl-oxo-propane-2,3-dihy

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    Propargyl-oxo-propane-2, 3-dihydroxy CAS No 13580-38-6 Molecular Formular C6H10O3 Molecular weight 130.14 Assay 50%min Appearance Clear colorless liquid Density g/cm3 (20℃) 1.06~1.11… Superiority 1.Powerful R & D team

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    Product Name: 3-Prop-2-ynoxypropane-1,2-diol CAS: 13580-38-6 MF: C6H10O3 MW: 130.14 EINECS: 237-012-2 Product Categories: Mol File: 13580-38-6.mol 3-Prop-2-ynoxypropane-1,2-diol Structure 3-Prop-2-ynoxypropane-1,2-diol Chemical

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Specification

The 3-Prop-2-ynoxypropane-1,2-diol, with the CAS registry number 13580-38-6, is also known as 1,2-Propanediol, 3-(2-propyn-1-yloxy)-. Its EINECS registry number is 237-012-2. This chemical's molecular formula is C6H10O3 and molecular weight is 130.14. What's more, its systematic name is called 3-(2-Propyn-1-yloxy)-1,2-propanediol.

Physical properties about 3-Prop-2-ynoxypropane-1,2-diol are: (1)ACD/LogP: -0.5; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.50; (4)ACD/LogD (pH 7.4): -0.50; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 12.74; (8)ACD/KOC (pH 7.4): 12.74; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 49.69 Å2; (13)Index of Refraction: 1.486; (14)Molar Refractivity: 32.448 cm3; (15)Molar Volume: 113.091 cm3; (16)Polarizability: 12.863×10-24cm3; (17)Surface Tension: 49.76 dyne/cm; (18)Density: 1.151 g/cm3; (19)Flash Point: 116.285 °C; (20)Enthalpy of Vaporization: 58.842 kJ/mol; (21)Boiling Point: 268.666 °C at 760 mmHg; (22)Vapour Pressure: 0.00100 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: OCC(O)COCC#C
(2) InChI: InChI=1S/C6H10O3/c1-2-3-9-5-6(8)4-7/h1,6-8H,3-5H2
(3) InChIKey: WZGADLPIFFITSG-UHFFFAOYSA-N